HRID2123192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID104967

Cesium(1+)

Cs+

2 次

HCID3247522

3-Chloro-4-methoxyphenylboronic acid

C7H8BClO3

HCID67076673

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(F)c(OC)c(-c2ccc(OC)c(Cl)c2)c1

HCID67171306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2281fa65748b416ab2cf0d8a9af24ee0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:13])[c:7]([O:11][CH3:12])[c:8]([F:10])[cH:9]1)=[O:14].[Cl:15][c:16]1[cH:17][c:18]([B:24]([OH:25])[OH:26])[cH:19][cH:20][c:21]1[O:22][CH3:23].[Cs+:31].[Cs+:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:115].[Pd:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[c:18]2[cH:17][c:16]([Cl:15])[c:21]([O:22][CH3:23])[cH:20][cH:19]2)[c:7]([O:11][CH3:12])[c:8]([F:10])[cH:9]1)=[O:14]